[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone

C17H23FN2O — CID 112759609

IUPAC[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1
InChIInChI=1S/C17H23FN2O/c1-19-9-11-20(12-10-19)16(21)17(7-2-3-8-17)14-5-4-6-15(18)13-14/h4-6,13H,2-3,7-12H2,1H3
InChIKeyBQBPNSIZNRKFCQ-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.41
Rot. Bonds2

About [1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone

[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 112759609) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is [1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID112759609
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1
InChIInChI=1S/C17H23FN2O/c1-19-9-11-20(12-10-19)16(21)17(7-2-3-8-17)14-5-4-6-15(18)13-14/h4-6,13H,2-3,7-12H2,1H3
InChIKeyBQBPNSIZNRKFCQ-UHFFFAOYSA-N
XLogP2.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
[1-(3-fluorophenyl)cyclopentyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55339053
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
[1-(3-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763147
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 55538682
N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide
CID 55599636
[1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606984
[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55574384
(4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 60557113
[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 134034309
[1-(3-fluorophenyl)cyclobutyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111430036
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-fluorophenyl)cyclohexyl]methanone;hydrochloride
CID 119517548

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone (CID 112759609) is [1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1.
What is the InChIKey of [1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is BQBPNSIZNRKFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-19-9-11-20(12-10-19)16(21)17(7-2-3-8-17)14-5-4-6-15(18)13-14/h4-6,13H,2-3,7-12H2,1H3.
What are the key properties of [1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone?
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 290.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 112759609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).